5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide

C13H16N4OS2 — CID 61097252

IUPAC5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide
SMILESCc1ncsc1CCOc1nnc(C)c(C)c1C(N)=S
InChIInChI=1S/C13H16N4OS2/c1-7-8(2)16-17-13(11(7)12(14)19)18-5-4-10-9(3)15-6-20-10/h6H,4-5H2,1-3H3,(H2,14,19)
InChIKeyZQJQJZXNHQQOEE-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.11
Rot. Bonds5

About 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide

5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide (PubChem CID 61097252) has the molecular formula C13H16N4OS2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide.

Molecular Properties

Compound Name5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide
PubChem CID61097252
Molecular FormulaC13H16N4OS2
Molecular Weight308.43 g/mol
Exact Mass308.08
IUPAC Name5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide
SMILESCc1ncsc1CCOc1nnc(C)c(C)c1C(N)=S
InChIInChI=1S/C13H16N4OS2/c1-7-8(2)16-17-13(11(7)12(14)19)18-5-4-10-9(3)15-6-20-10/h6H,4-5H2,1-3H3,(H2,14,19)
InChIKeyZQJQJZXNHQQOEE-UHFFFAOYSA-N
XLogP2.11
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide?
The IUPAC name of 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide (CID 61097252) is 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide.
What is the SMILES notation for 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide?
The canonical SMILES for 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide is Cc1ncsc1CCOc1nnc(C)c(C)c1C(N)=S.
What is the InChIKey of 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide?
The InChIKey is ZQJQJZXNHQQOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS2/c1-7-8(2)16-17-13(11(7)12(14)19)18-5-4-10-9(3)15-6-20-10/h6H,4-5H2,1-3H3,(H2,14,19).
What are the key properties of 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide?
5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide has a molecular weight of 308.43 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridazine-4-carbothioamide is sourced from PubChem (CID 61097252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).